2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate

C24H27BrNO2P — CID 134978011

IUPAC2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate
SMILESCP(Br)(CCOC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrNO2P/c1-29(25,21-13-7-3-8-14-21,22-15-9-4-10-16-22)18-17-28-24(27)23(26)19-20-11-5-2-6-12-20/h2-16,23H,17-19,26H2,1H3/t23-/m0/s1
InChIKeyHFMKWNSWOFZZAF-QHCPKHFHSA-N
MW472.36 g/mol
LogP4.24
Rot. Bonds8

About 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate

2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate (PubChem CID 134978011) has the molecular formula C24H27BrNO2P and a molecular weight of 472.36 g/mol. Its IUPAC name is 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate
PubChem CID134978011
Molecular FormulaC24H27BrNO2P
Molecular Weight472.36 g/mol
Exact Mass471.10
IUPAC Name2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate
SMILESCP(Br)(CCOC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrNO2P/c1-29(25,21-13-7-3-8-14-21,22-15-9-4-10-16-22)18-17-28-24(27)23(26)19-20-11-5-2-6-12-20/h2-16,23H,17-19,26H2,1H3/t23-/m0/s1
InChIKeyHFMKWNSWOFZZAF-QHCPKHFHSA-N
XLogP4.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate?
The IUPAC name of 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate (CID 134978011) is 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate is CP(Br)(CCOC(=O)[C@@H](N)Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate?
The InChIKey is HFMKWNSWOFZZAF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27BrNO2P/c1-29(25,21-13-7-3-8-14-21,22-15-9-4-10-16-22)18-17-28-24(27)23(26)19-20-11-5-2-6-12-20/h2-16,23H,17-19,26H2,1H3/t23-/m0/s1.
What are the key properties of 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate?
2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate has a molecular weight of 472.36 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromo-methyl-diphenyl-λ5-phosphanyl)ethyl (2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 134978011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).